2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid

C11H16O4 — CID 57263017

IUPAC2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid
SMILESC=C(C)C(=O)OC(C)CC=C(C)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(2)11(14)15-9(4)6-5-8(3)10(12)13/h5,9H,1,6H2,2-4H3,(H,12,13)
InChIKeyWQZSRNBFMPNKAG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid

2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid (PubChem CID 57263017) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid
PubChem CID57263017
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid
SMILESC=C(C)C(=O)OC(C)CC=C(C)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(2)11(14)15-9(4)6-5-8(3)10(12)13/h5,9H,1,6H2,2-4H3,(H,12,13)
InChIKeyWQZSRNBFMPNKAG-UHFFFAOYSA-N
XLogP1.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cavipetin A
CID 14527061
Cavipetin D
CID 14527064
Phomopsolide B
CID 6442165
Phomopsolide A
CID 6442340
(2E,6E)-8-{[(2E,6E)-8-acetoxy-2,6-dimethylocta-2,6-dienoyl]oxy}-2,6-dimethylocta-2,6-dienoic acid
CID 53355888
[(2S,3S)-2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
CID 38360362
NCGC00384506-01_C15H20O6_(2S,3S)-2-[(1E,3S,4R)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate
CID 51136346
Boletinin J
CID 11362497
Boletinin H
CID 11475609
(2E,6E)-8-{[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-2,6-dimethylocta-2,6-dienoic acid
CID 53262794
Isopropyl 2-methyl-2E-pentenoate
CID 15071057
(3Z,6R,10E,13R)-11-(hydroxymethyl)-6,13-dimethyl-1,7-dioxacyclotrideca-3,10-diene-2,8-dione
CID 101670024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid?
The IUPAC name of 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid (CID 57263017) is 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid.
What is the SMILES notation for 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid?
The canonical SMILES for 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid is C=C(C)C(=O)OC(C)CC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid?
The InChIKey is WQZSRNBFMPNKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)11(14)15-9(4)6-5-8(3)10(12)13/h5,9H,1,6H2,2-4H3,(H,12,13).
What are the key properties of 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid?
2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid is sourced from PubChem (CID 57263017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).